4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane

C195H276Cl2F13N27O2S — CID 158039022

About 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane

4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane (PubChem CID 158039022) has the molecular formula C195H276Cl2F13N27O2S and a molecular weight of 3380.49 g/mol. Its IUPAC name is 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane.

Molecular Properties

• Compound Name: 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
• PubChem CID: 158039022
• Molecular Formula: C195H276Cl2F13N27O2S
• Molecular Weight: 3380.49 g/mol
• Exact Mass: 3377.12
• IUPAC Name: 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
• SMILES: C.C.C.CC(=O)c1cccnc1C(C)(C)C.CC(C)(C)c1cc(C(F)(F)F)cc(Cl)n1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ncn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncc(F)cc1F.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)(C)c1ncnc2ccccc12.CC(O)c1cccnc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1
• InChI: InChI=1S/2C12H14N2.C11H17NO.C11H15NO.C10H11ClF3N.2C10H12F3N.3C10H15N.C9H11F2N.2C9H12FN.3C9H14N2.C9H13N.C8H11ClN2.C8H12N2.C7H11NS.3CH4/c1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;2*1-8(13)9-6-5-7-12-10(9)11(2,3)4;1-9(2,3)7-4-6(10(12,13)14)5-8(11)15-7;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-9(2,3)8-7(11)4-6(10)5-12-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;3*1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-7(9)11-5-10-6;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-6;;;/h2*4-8H,1-3H3;5-8,13H,1-4H3;5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;3*5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;3*5-6H,1-4H3;4-7H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3*1H4
• InChIKey: FICUVHISPUJEOK-UHFFFAOYSA-N
• XLogP: 54.65
• TPSA: 385.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 2
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3380.49
LogP ≤ 5	54.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane?

The IUPAC name of 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane (CID 158039022) is 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane.

What is the SMILES notation for 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane?

The canonical SMILES for 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane is C.C.C.CC(=O)c1cccnc1C(C)(C)C.CC(C)(C)c1cc(C(F)(F)F)cc(Cl)n1.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ncn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncc(F)cc1F.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)(C)c1ncnc2ccccc12.CC(O)c1cccnc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.

What is the InChIKey of 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane?

The InChIKey is FICUVHISPUJEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14N2.C11H17NO.C11H15NO.C10H11ClF3N.2C10H12F3N.3C10H15N.C9H11F2N.2C9H12FN.3C9H14N2.C9H13N.C8H11ClN2.C8H12N2.C7H11NS.3CH4/c1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;2*1-8(13)9-6-5-7-12-10(9)11(2,3)4;1-9(2,3)7-4-6(10(12,13)14)5-8(11)15-7;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-9(2,3)8-7(11)4-6(10)5-12-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;3*1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-7(9)11-5-10-6;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-6;;;/h2*4-8H,1-3H3;5-8,13H,1-4H3;5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;3*5-7H,1-4H3;4-5H,1-3H3;2*4-6H,1-3H3;3*5-6H,1-4H3;4-7H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3*1H4.

What are the key properties of 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane?

4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane has a molecular weight of 3380.49 g/mol, XLogP of 54.65, 2 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-3-methylpyridine;bis(2-tert-butyl-5-methylpyridine);tris(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane is sourced from PubChem (CID 158039022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).